4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide

C20H21N5O — CID 66714898

IUPAC4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NC3CNCCC3c3ccccc3)ncnc12
InChIInChI=1S/C20H21N5O/c21-19(26)15-7-4-8-16-18(15)23-12-24-20(16)25-17-11-22-10-9-14(17)13-5-2-1-3-6-13/h1-8,12,14,17,22H,9-11H2,(H2,21,26)(H,23,24,25)
InChIKeyUCCMBYMWGPFBRR-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.29
Rot. Bonds4

About 4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide

4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide (PubChem CID 66714898) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide
PubChem CID66714898
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NC3CNCCC3c3ccccc3)ncnc12
InChIInChI=1S/C20H21N5O/c21-19(26)15-7-4-8-16-18(15)23-12-24-20(16)25-17-11-22-10-9-14(17)13-5-2-1-3-6-13/h1-8,12,14,17,22H,9-11H2,(H2,21,26)(H,23,24,25)
InChIKeyUCCMBYMWGPFBRR-UHFFFAOYSA-N
XLogP2.29
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3S,4R)-4-[3-(2H-azirin-2-yl)phenyl]pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 126659129
4-[[(3R,4R)-1-methyl-4-phenylpiperidin-3-yl]amino]quinazoline-8-carboxamide
CID 126659054
4-[[4-(3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 66715280
4-[[(3R,4R)-4-naphthalen-1-ylpyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 66714806
4-[[(3S,4R)-4-naphthalen-2-ylpyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 56640484
4-[[(3R,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 66714935
4-[[4-(3-methoxyphenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 56640053
4-[[(3S,4R)-4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 56639753
4-[[(3S)-4-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 162541454
4-[[(3R)-4-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 162541453
4-[[(3S,4R)-4-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]amino]quinazoline-8-carboxamide
CID 56640410
8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine
CID 129126397

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide (CID 66714898) is 4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NC3CNCCC3c3ccccc3)ncnc12.
What is the InChIKey of 4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide?
The InChIKey is UCCMBYMWGPFBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-19(26)15-7-4-8-16-18(15)23-12-24-20(16)25-17-11-22-10-9-14(17)13-5-2-1-3-6-13/h1-8,12,14,17,22H,9-11H2,(H2,21,26)(H,23,24,25).
What are the key properties of 4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide?
4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylpiperidin-3-yl)amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66714898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).