N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine

C20H18N6O — CID 45228915

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESc1cncc(-c2ncc3c(n2)CCCC3NCc2ccc3nonc3c2)c1
InChIInChI=1S/C20H18N6O/c1-4-16(22-10-13-6-7-18-19(9-13)26-27-25-18)15-12-23-20(24-17(15)5-1)14-3-2-8-21-11-14/h2-3,6-9,11-12,16,22H,1,4-5,10H2
InChIKeySWPKHTDZPQIMLS-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.24
Rot. Bonds4

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine

N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 45228915) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID45228915
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESc1cncc(-c2ncc3c(n2)CCCC3NCc2ccc3nonc3c2)c1
InChIInChI=1S/C20H18N6O/c1-4-16(22-10-13-6-7-18-19(9-13)26-27-25-18)15-12-23-20(24-17(15)5-1)14-3-2-8-21-11-14/h2-3,6-9,11-12,16,22H,1,4-5,10H2
InChIKeySWPKHTDZPQIMLS-UHFFFAOYSA-N
XLogP3.24
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine with MolForge

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Related Compounds

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-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 45176482
N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009476
(5R)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 42192976
(5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 42192978
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
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
N-propyl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385465
2-(2-oxoazepan-1-yl)-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 97131151

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 45228915) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine is c1cncc(-c2ncc3c(n2)CCCC3NCc2ccc3nonc3c2)c1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is SWPKHTDZPQIMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-4-16(22-10-13-6-7-18-19(9-13)26-27-25-18)15-12-23-20(24-17(15)5-1)14-3-2-8-21-11-14/h2-3,6-9,11-12,16,22H,1,4-5,10H2.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 358.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 45228915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).