4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide

C30H36N6O2 — CID 25177898

IUPAC4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCC(Nc1ncnc2ccc(-n3cc(CCO)c(C(=O)NCCN4CCCCC4)c3)cc12)c1ccccc1
InChIInChI=1S/C30H36N6O2/c1-22(23-8-4-2-5-9-23)34-29-26-18-25(10-11-28(26)32-21-33-29)36-19-24(12-17-37)27(20-36)30(38)31-13-16-35-14-6-3-7-15-35/h2,4-5,8-11,18-22,37H,3,6-7,12-17H2,1H3,(H,31,38)(H,32,33,34)
InChIKeyUAMJSNCXCUCLRK-UHFFFAOYSA-N
MW512.66 g/mol
LogP4.34
Rot. Bonds10

About 4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide

4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 25177898) has the molecular formula C30H36N6O2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
PubChem CID25177898
Molecular FormulaC30H36N6O2
Molecular Weight512.66 g/mol
Exact Mass512.29
IUPAC Name4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCC(Nc1ncnc2ccc(-n3cc(CCO)c(C(=O)NCCN4CCCCC4)c3)cc12)c1ccccc1
InChIInChI=1S/C30H36N6O2/c1-22(23-8-4-2-5-9-23)34-29-26-18-25(10-11-28(26)32-21-33-29)36-19-24(12-17-37)27(20-36)30(38)31-13-16-35-14-6-3-7-15-35/h2,4-5,8-11,18-22,37H,3,6-7,12-17H2,1H3,(H,31,38)(H,32,33,34)
InChIKeyUAMJSNCXCUCLRK-UHFFFAOYSA-N
XLogP4.34
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.66
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide with MolForge

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Related Compounds

4-(2-hydroxyethyl)-N-(3-morpholin-4-ylpropyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]pyrrole-3-carboxamide
CID 25176772
1-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-4-(2-hydroxyethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
CID 143748986
4-(2-hydroxyethyl)-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 143748856
1-[4-[4-[(4-fluorophenyl)methylamino]-3-methanimidoylanilino]quinazolin-6-yl]-4-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 143748766
1-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]-4-(2-hydroxyethyl)-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 143748526
1-[4-[4-(1-phenylethylamino)quinazolin-6-yl]phenyl]butan-2-one
CID 165054459
2,6-difluoro-N-[3-[3-piperidin-1-yl-1-(quinazolin-4-ylamino)propyl]phenyl]benzamide
CID 141272084
N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide
CID 164556450
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 164556578
methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate
CID 164556584
2-[4-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]ethanol
CID 59756713

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide (CID 25177898) is 4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide is CC(Nc1ncnc2ccc(-n3cc(CCO)c(C(=O)NCCN4CCCCC4)c3)cc12)c1ccccc1.
What is the InChIKey of 4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The InChIKey is UAMJSNCXCUCLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O2/c1-22(23-8-4-2-5-9-23)34-29-26-18-25(10-11-28(26)32-21-33-29)36-19-24(12-17-37)27(20-36)30(38)31-13-16-35-14-6-3-7-15-35/h2,4-5,8-11,18-22,37H,3,6-7,12-17H2,1H3,(H,31,38)(H,32,33,34).
What are the key properties of 4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 512.66 g/mol, XLogP of 4.34, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 25177898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).