N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine

C23H27ClN4O4 — CID 70989079

IUPACN-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
SMILESCOCCOc1cc2c(Nc3ccc(Cl)c(C)c3)ncnc2cc1OCC1CNCCO1
InChIInChI=1S/C23H27ClN4O4/c1-15-9-16(3-4-19(15)24)28-23-18-10-21(31-8-7-29-2)22(11-20(18)26-14-27-23)32-13-17-12-25-5-6-30-17/h3-4,9-11,14,17,25H,5-8,12-13H2,1-2H3,(H,26,27,28)
InChIKeyKNUCXMLFEPKMCP-UHFFFAOYSA-N
MW458.95 g/mol
LogP3.73
Rot. Bonds9

About N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine

N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine (PubChem CID 70989079) has the molecular formula C23H27ClN4O4 and a molecular weight of 458.95 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
PubChem CID70989079
Molecular FormulaC23H27ClN4O4
Molecular Weight458.95 g/mol
Exact Mass458.17
IUPAC NameN-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine
SMILESCOCCOc1cc2c(Nc3ccc(Cl)c(C)c3)ncnc2cc1OCC1CNCCO1
InChIInChI=1S/C23H27ClN4O4/c1-15-9-16(3-4-19(15)24)28-23-18-10-21(31-8-7-29-2)22(11-20(18)26-14-27-23)32-13-17-12-25-5-6-30-17/h3-4,9-11,14,17,25H,5-8,12-13H2,1-2H3,(H,26,27,28)
InChIKeyKNUCXMLFEPKMCP-UHFFFAOYSA-N
XLogP3.73
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methylphenyl)-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 142674982
7-methoxy-6-(morpholin-2-ylmethoxy)-N-(4-propylphenyl)quinazolin-4-amine
CID 142675011
N-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methoxy-6-(morpholin-2-ylmethoxy)quinazolin-4-amine
CID 142675021
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
4-[2-[[4-(4-chloro-3-methylanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,4-oxazepan-4-yl]butan-1-ol
CID 142852291
7-[[(3R,9aS)-3,4,6,7,9,9a-hexahydro-1H-[1,4]oxazino[3,4-c][1,4]oxazin-3-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine;fluoromethane
CID 142852302
N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine
CID 70989067
7-[[(8aR)-1,3,5,6,8,8a-hexahydro-[1,3]thiazolo[4,3-c][1,4]oxazin-6-yl]methoxy]-N-(4-chloro-3-methylphenyl)-6-methoxyquinazolin-4-amine
CID 58013770
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
N-(4-chloro-3-methylphenyl)-6-methoxy-7-[(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)methoxy]quinazolin-4-amine
CID 70946752
N-(2,4-dichloro-5-methoxyphenyl)-7-methoxy-8-(2-morpholin-2-ylethoxy)benzo[g]quinazolin-4-amine
CID 91020683

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The IUPAC name of N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine (CID 70989079) is N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine is COCCOc1cc2c(Nc3ccc(Cl)c(C)c3)ncnc2cc1OCC1CNCCO1.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine?
The InChIKey is KNUCXMLFEPKMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4/c1-15-9-16(3-4-19(15)24)28-23-18-10-21(31-8-7-29-2)22(11-20(18)26-14-27-23)32-13-17-12-25-5-6-30-17/h3-4,9-11,14,17,25H,5-8,12-13H2,1-2H3,(H,26,27,28).
What are the key properties of N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine?
N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine has a molecular weight of 458.95 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-6-(2-methoxyethoxy)-7-(morpholin-2-ylmethoxy)quinazolin-4-amine is sourced from PubChem (CID 70989079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).