N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide

C18H20N4O — CID 25379238

IUPACN-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CCCc2nc(-c3cccnc3)ncc21)C1CCC1
InChIInChI=1S/C18H20N4O/c23-18(12-4-1-5-12)22-16-8-2-7-15-14(16)11-20-17(21-15)13-6-3-9-19-10-13/h3,6,9-12,16H,1-2,4-5,7-8H2,(H,22,23)/t16-/m0/s1
InChIKeyAILMMOWTJAPOHQ-INIZCTEOSA-N
MW308.38 g/mol
LogP2.83
Rot. Bonds3

About N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide

N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide (PubChem CID 25379238) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide
PubChem CID25379238
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide
SMILESO=C(N[C@H]1CCCc2nc(-c3cccnc3)ncc21)C1CCC1
InChIInChI=1S/C18H20N4O/c23-18(12-4-1-5-12)22-16-8-2-7-15-14(16)11-20-17(21-15)13-6-3-9-19-10-13/h3,6,9-12,16H,1-2,4-5,7-8H2,(H,22,23)/t16-/m0/s1
InChIKeyAILMMOWTJAPOHQ-INIZCTEOSA-N
XLogP2.83
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 45214726
2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
CID 51589334
N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009476
2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72852912
2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 97131151
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
2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide
CID 95385029
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
CID 95384867
4-(1H-pyrazol-4-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
CID 72907237
[5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol
CID 45252320

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide (CID 25379238) is N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide is O=C(N[C@H]1CCCc2nc(-c3cccnc3)ncc21)C1CCC1.
What is the InChIKey of N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide?
The InChIKey is AILMMOWTJAPOHQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(12-4-1-5-12)22-16-8-2-7-15-14(16)11-20-17(21-15)13-6-3-9-19-10-13/h3,6,9-12,16H,1-2,4-5,7-8H2,(H,22,23)/t16-/m0/s1.
What are the key properties of N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide?
N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide is sourced from PubChem (CID 25379238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).