(5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine

C22H24N4 — CID 42192978

IUPAC(5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESc1ccc(CCCN[C@H]2CCCc3nc(-c4cccnc4)ncc32)cc1
InChIInChI=1S/C22H24N4/c1-2-7-17(8-3-1)9-5-14-24-20-11-4-12-21-19(20)16-25-22(26-21)18-10-6-13-23-15-18/h1-3,6-8,10,13,15-16,20,24H,4-5,9,11-12,14H2/t20-/m0/s1
InChIKeyZITKNBWJDNKWPD-FQEVSTJZSA-N
MW344.46 g/mol
LogP4.14
Rot. Bonds6

About (5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine

(5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 42192978) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is (5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name(5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID42192978
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name(5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESc1ccc(CCCN[C@H]2CCCc3nc(-c4cccnc4)ncc32)cc1
InChIInChI=1S/C22H24N4/c1-2-7-17(8-3-1)9-5-14-24-20-11-4-12-21-19(20)16-25-22(26-21)18-10-6-13-23-15-18/h1-3,6-8,10,13,15-16,20,24H,4-5,9,11-12,14H2/t20-/m0/s1
InChIKeyZITKNBWJDNKWPD-FQEVSTJZSA-N
XLogP4.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 42192976
N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009476
N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 45205825
[5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol
CID 45252320
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 45228915
N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 45176482
4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
CID 72907237
N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide
CID 25379238
2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
CID 51589334
2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72852912
3-(furan-2-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 56731447
N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-thiophen-2-ylpropanamide
CID 45235406

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of (5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 42192978) is (5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for (5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for (5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine is c1ccc(CCCN[C@H]2CCCc3nc(-c4cccnc4)ncc32)cc1.
What is the InChIKey of (5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is ZITKNBWJDNKWPD-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4/c1-2-7-17(8-3-1)9-5-14-24-20-11-4-12-21-19(20)16-25-22(26-21)18-10-6-13-23-15-18/h1-3,6-8,10,13,15-16,20,24H,4-5,9,11-12,14H2/t20-/m0/s1.
What are the key properties of (5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
(5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 344.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 42192978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).