4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine

C26H25F2N7O — CID 170533426

IUPAC4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCc1c(-c2cc(N)c3c(F)nc(Nc4cc5c(cc4F)CCN(C)C5)nc3c2)cnc2c1NCCO2
InChIInChI=1S/C26H25F2N7O/c1-13-17(11-31-25-23(13)30-4-6-36-25)15-8-19(29)22-21(9-15)33-26(34-24(22)28)32-20-10-16-12-35(2)5-3-14(16)7-18(20)27/h7-11,30H,3-6,12,29H2,1-2H3,(H,32,33,34)
InChIKeyNSRGKHUNXHXOEM-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.40
Rot. Bonds3

About 4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine

4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (PubChem CID 170533426) has the molecular formula C26H25F2N7O and a molecular weight of 489.53 g/mol. Its IUPAC name is 4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
PubChem CID170533426
Molecular FormulaC26H25F2N7O
Molecular Weight489.53 g/mol
Exact Mass489.21
IUPAC Name4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCc1c(-c2cc(N)c3c(F)nc(Nc4cc5c(cc4F)CCN(C)C5)nc3c2)cnc2c1NCCO2
InChIInChI=1S/C26H25F2N7O/c1-13-17(11-31-25-23(13)30-4-6-36-25)15-8-19(29)22-21(9-15)33-26(34-24(22)28)32-20-10-16-12-35(2)5-3-14(16)7-18(20)27/h7-11,30H,3-6,12,29H2,1-2H3,(H,32,33,34)
InChIKeyNSRGKHUNXHXOEM-UHFFFAOYSA-N
XLogP4.40
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
CID 163290990
4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 170311019
6-fluoro-2-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 164514727
2-N-(1,3-dimethylpyrazol-4-yl)-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 164607693
6-fluoro-2-N-(6-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 164514644
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine
CID 177197629
6-fluoro-2-N-(2-methoxy-6-methyl-3-pyridinyl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 164514656
1-[3-[4-[[5-amino-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one
CID 163291052
6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2-N-[4-[(1S)-1-methylsulfonylethyl]phenyl]quinazoline-2,5-diamine
CID 164514652
2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 163291058
6-fluoro-2-N-[2-methoxy-4-[(1R)-1-methylsulfonylethyl]phenyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 164514647
N-[2-fluoro-6-(methylsulfonylmethyl)-3-pyridinyl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 175960709

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The IUPAC name of 4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (CID 170533426) is 4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine.
What is the SMILES notation for 4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The canonical SMILES for 4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is Cc1c(-c2cc(N)c3c(F)nc(Nc4cc5c(cc4F)CCN(C)C5)nc3c2)cnc2c1NCCO2.
What is the InChIKey of 4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The InChIKey is NSRGKHUNXHXOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7O/c1-13-17(11-31-25-23(13)30-4-6-36-25)15-8-19(29)22-21(9-15)33-26(34-24(22)28)32-20-10-16-12-35(2)5-3-14(16)7-18(20)27/h7-11,30H,3-6,12,29H2,1-2H3,(H,32,33,34).
What are the key properties of 4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine has a molecular weight of 489.53 g/mol, XLogP of 4.40, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is sourced from PubChem (CID 170533426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).