N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide

C28H31N5OP+ — CID 143198401

IUPACN-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide
SMILESCc1ccc2c(N3CCC(NC(=O)CCc4ccccn4)CC3)[nH+]c(-c3ccccc3P)nc2c1
InChIInChI=1S/C28H30N5OP/c1-19-9-11-22-24(18-19)31-27(23-7-2-3-8-25(23)35)32-28(22)33-16-13-21(14-17-33)30-26(34)12-10-20-6-4-5-15-29-20/h2-9,11,15,18,21H,10,12-14,16-17,35H2,1H3,(H,30,34)/p+1
InChIKeyUJWXTYKVHPKPHF-UHFFFAOYSA-O
MW484.56 g/mol
LogP3.64
Rot. Bonds6

About N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide

N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide (PubChem CID 143198401) has the molecular formula C28H31N5OP+ and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide
PubChem CID143198401
Molecular FormulaC28H31N5OP+
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC NameN-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide
SMILESCc1ccc2c(N3CCC(NC(=O)CCc4ccccn4)CC3)[nH+]c(-c3ccccc3P)nc2c1
InChIInChI=1S/C28H30N5OP/c1-19-9-11-22-24(18-19)31-27(23-7-2-3-8-25(23)35)32-28(22)33-16-13-21(14-17-33)30-26(34)12-10-20-6-4-5-15-29-20/h2-9,11,15,18,21H,10,12-14,16-17,35H2,1H3,(H,30,34)/p+1
InChIKeyUJWXTYKVHPKPHF-UHFFFAOYSA-O
XLogP3.64
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide 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

VX-984
CID 72188357
4-Methyl-n-phenyl-3-((3-(4-pyrimidinyl)-2-pyridinyl)amino)benzamide
CID 11617856
1-((1H-indol-4-yl)methyl)-9-(4,6-dimethylpyrimidin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one
CID 56970626
2-(4-Methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoline
CID 2093195
4-methyl-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}cyclohexane-1-carboxamide
CID 4244680
3-{[4-(Quinolin-5-ylamino)pyrimidin-2-yl]amino}benzamide
CID 25138041
N-(1-Benzylpiperidin-4-YL)-2-(pyridin-3-YL)quinazolin-4-amine
CID 4882879
(S)-1-methyl-N-(7-oxo-1-(5-(quinolin-2-yl)-1H-imidazol-2-yl)nonyl)piperidine-4-carboxamide
CID 44158009
(S)-1-methyl-N-(7-oxo-1-(5-(quinolin-3-yl)-1H-imidazol-2-yl)octyl)piperidine-4-carboxamide
CID 44158010
1-cyclohexyl-N-[4-({[2-(dimethylamino)-7-methylquinazolin-4-yl]amino}methyl)phenyl]piperidine-4-carboxamide
CID 45487527
N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide
CID 51030833
(R)-2-amino-3-(4-fluorophenyl)-1-(4-(quinazolin-4-yl)piperazin-1-yl)propan-1-one
CID 52942668

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide (CID 143198401) is N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide is Cc1ccc2c(N3CCC(NC(=O)CCc4ccccn4)CC3)[nH+]c(-c3ccccc3P)nc2c1.
What is the InChIKey of N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide?
The InChIKey is UJWXTYKVHPKPHF-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H30N5OP/c1-19-9-11-22-24(18-19)31-27(23-7-2-3-8-25(23)35)32-28(22)33-16-13-21(14-17-33)30-26(34)12-10-20-6-4-5-15-29-20/h2-9,11,15,18,21H,10,12-14,16-17,35H2,1H3,(H,30,34)/p+1.
What are the key properties of N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide?
N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide has a molecular weight of 484.56 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-methyl-2-(2-phosphanylphenyl)quinazolin-3-ium-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 143198401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).