N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C24H33N5O — CID 53193917

IUPACN-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCN(CCCNC(=O)C1CCc2nc(N3CCCCC3)ncc2C1)c1ccccc1
InChIInChI=1S/C24H33N5O/c1-28(21-9-4-2-5-10-21)14-8-13-25-23(30)19-11-12-22-20(17-19)18-26-24(27-22)29-15-6-3-7-16-29/h2,4-5,9-10,18-19H,3,6-8,11-17H2,1H3,(H,25,30)
InChIKeyDIBIJZGYALMANM-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.21
Rot. Bonds7

About N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 53193917) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID53193917
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC NameN-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCN(CCCNC(=O)C1CCc2nc(N3CCCCC3)ncc2C1)c1ccccc1
InChIInChI=1S/C24H33N5O/c1-28(21-9-4-2-5-10-21)14-8-13-25-23(30)19-11-12-22-20(17-19)18-26-24(27-22)29-15-6-3-7-16-29/h2,4-5,9-10,18-19H,3,6-8,11-17H2,1H3,(H,25,30)
InChIKeyDIBIJZGYALMANM-UHFFFAOYSA-N
XLogP3.21
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N-ethylanilino)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193902
(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129369349
2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836110
(6R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112000
(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112007
N-[3-(N-methylanilino)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771294
(3R)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 95085490
1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 53106974
(3S)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 95085491
N-(2-methoxyphenyl)-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836103
N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836090
(6R)-2-(4-methylpiperidin-1-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112085

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 53193917) is N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CN(CCCNC(=O)C1CCc2nc(N3CCCCC3)ncc2C1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is DIBIJZGYALMANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-28(21-9-4-2-5-10-21)14-8-13-25-23(30)19-11-12-22-20(17-19)18-26-24(27-22)29-15-6-3-7-16-29/h2,4-5,9-10,18-19H,3,6-8,11-17H2,1H3,(H,25,30).
What are the key properties of N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 53193917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).