5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide

C27H25N5O3 — CID 162431826

IUPAC5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide
SMILESCc1ccc(Oc2ccc(Nc3ncnc4ccc(N(C)C(=O)C#CCCO)cc34)cc2C)cn1
InChIInChI=1S/C27H25N5O3/c1-18-14-20(8-12-25(18)35-22-10-7-19(2)28-16-22)31-27-23-15-21(9-11-24(23)29-17-30-27)32(3)26(34)6-4-5-13-33/h7-12,14-17,33H,5,13H2,1-3H3,(H,29,30,31)
InChIKeyFBPASONTRRNTTO-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.53
Rot. Bonds6

About 5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide

5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide (PubChem CID 162431826) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide
PubChem CID162431826
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide
SMILESCc1ccc(Oc2ccc(Nc3ncnc4ccc(N(C)C(=O)C#CCCO)cc34)cc2C)cn1
InChIInChI=1S/C27H25N5O3/c1-18-14-20(8-12-25(18)35-22-10-7-19(2)28-16-22)31-27-23-15-21(9-11-24(23)29-17-30-27)32(3)26(34)6-4-5-13-33/h7-12,14-17,33H,5,13H2,1-3H3,(H,29,30,31)
InChIKeyFBPASONTRRNTTO-UHFFFAOYSA-N
XLogP4.53
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-methyl-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide
CID 162431836
2-(2-hydroxyethylsulfanyl)-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]prop-2-ynyl]acetamide
CID 22484329
6-iodo-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;hydrochloride
CID 66623307
2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide
CID 69461106
3-[[2-(dimethylamino)acetyl]amino]-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide
CID 11613210
[3-ethyl-5-hydroxy-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-1-yn-3-yl]urea
CID 22484187
1,1,3-trimethyl-3-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]urea
CID 58140170
6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol
CID 143005182
2-methoxy-N-[(E)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]ethenyl]acetamide
CID 102251503
6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 22484234
3-methylidene-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pyrrolidin-2-one
CID 164561561
ethyl N-[(Z)-3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]prop-2-enyl]carbamate
CID 90656920

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide?
The IUPAC name of 5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide (CID 162431826) is 5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide.
What is the SMILES notation for 5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide?
The canonical SMILES for 5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide is Cc1ccc(Oc2ccc(Nc3ncnc4ccc(N(C)C(=O)C#CCCO)cc34)cc2C)cn1.
What is the InChIKey of 5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide?
The InChIKey is FBPASONTRRNTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-18-14-20(8-12-25(18)35-22-10-7-19(2)28-16-22)31-27-23-15-21(9-11-24(23)29-17-30-27)32(3)26(34)6-4-5-13-33/h7-12,14-17,33H,5,13H2,1-3H3,(H,29,30,31).
What are the key properties of 5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide?
5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide has a molecular weight of 467.53 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide is sourced from PubChem (CID 162431826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).