5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine

C26H28ClN7O2 — CID 167021898

IUPAC5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine
SMILESCOC1CCC(Nc2ncc3c(Cl)ncc(-c4ccc5c(N6CCOCC6)ncnc5c4)c3n2)CC1
InChIInChI=1S/C26H28ClN7O2/c1-35-18-5-3-17(4-6-18)32-26-29-14-21-23(33-26)20(13-28-24(21)27)16-2-7-19-22(12-16)30-15-31-25(19)34-8-10-36-11-9-34/h2,7,12-15,17-18H,3-6,8-11H2,1H3,(H,29,32,33)
InChIKeyDUQFNUYOVWWPPN-UHFFFAOYSA-N
MW506.01 g/mol
LogP4.49
Rot. Bonds5

About 5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine

5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 167021898) has the molecular formula C26H28ClN7O2 and a molecular weight of 506.01 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine
PubChem CID167021898
Molecular FormulaC26H28ClN7O2
Molecular Weight506.01 g/mol
Exact Mass505.20
IUPAC Name5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine
SMILESCOC1CCC(Nc2ncc3c(Cl)ncc(-c4ccc5c(N6CCOCC6)ncnc5c4)c3n2)CC1
InChIInChI=1S/C26H28ClN7O2/c1-35-18-5-3-17(4-6-18)32-26-29-14-21-23(33-26)20(13-28-24(21)27)16-2-7-19-22(12-16)30-15-31-25(19)34-8-10-36-11-9-34/h2,7,12-15,17-18H,3-6,8-11H2,1H3,(H,29,32,33)
InChIKeyDUQFNUYOVWWPPN-UHFFFAOYSA-N
XLogP4.49
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.01
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine 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

5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 46239582
5-iodo-N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrimidin-2-amine
CID 165113010
4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine
CID 87015234
N-[2-[(4-ethoxycyclohexyl)amino]-8-[4-(morpholine-4-carbonyl)phenyl]pyrido[4,3-d]pyrimidin-5-yl]benzamide
CID 167021870
4-(7-thiophen-2-ylquinazolin-4-yl)morpholine
CID 123590034
N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine
CID 71108050
5-[5-amino-2-(oxan-4-ylamino)pyrido[4,3-d]pyrimidin-8-yl]-2-fluorophenol
CID 165021907
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121
N-[4-[(7-morpholin-4-yl-1,6-naphthyridin-5-yl)oxy]cyclohexyl]-5-propoxypyrimidin-2-amine
CID 165113223
N-[2-[(4-methoxycyclohexyl)amino]-8-(1,2-oxazol-4-yl)pyrido[4,3-d]pyrimidin-5-yl]benzamide
CID 167021746
2-[5-amino-2-[(4-methoxycyclohexyl)amino]pyrido[4,3-d]pyrimidin-8-yl]benzonitrile
CID 175787681
N-chloro-N-[2-chloro-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]ethanesulfonamide
CID 59406582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine (CID 167021898) is 5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine is COC1CCC(Nc2ncc3c(Cl)ncc(-c4ccc5c(N6CCOCC6)ncnc5c4)c3n2)CC1.
What is the InChIKey of 5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is DUQFNUYOVWWPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O2/c1-35-18-5-3-17(4-6-18)32-26-29-14-21-23(33-26)20(13-28-24(21)27)16-2-7-19-22(12-16)30-15-31-25(19)34-8-10-36-11-9-34/h2,7,12-15,17-18H,3-6,8-11H2,1H3,(H,29,32,33).
What are the key properties of 5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine?
5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 506.01 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxycyclohexyl)-8-(4-morpholin-4-ylquinazolin-7-yl)pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 167021898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).