2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine

C16H17N5O — CID 139645178

IUPAC2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine
SMILESc1ccc2c(NCC3CCOC3)nc(-n3ccnc3)nc2c1
InChIInChI=1S/C16H17N5O/c1-2-4-14-13(3-1)15(18-9-12-5-8-22-10-12)20-16(19-14)21-7-6-17-11-21/h1-4,6-7,11-12H,5,8-10H2,(H,18,19,20)
InChIKeyHPKDHLVLOLGMPR-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.26
Rot. Bonds4

About 2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine

2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine (PubChem CID 139645178) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine
PubChem CID139645178
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine
SMILESc1ccc2c(NCC3CCOC3)nc(-n3ccnc3)nc2c1
InChIInChI=1S/C16H17N5O/c1-2-4-14-13(3-1)15(18-9-12-5-8-22-10-12)20-16(19-14)21-7-6-17-11-21/h1-4,6-7,11-12H,5,8-10H2,(H,18,19,20)
InChIKeyHPKDHLVLOLGMPR-UHFFFAOYSA-N
XLogP2.26
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083
4-imidazol-1-yl-6-(oxolan-3-ylmethoxy)-1,3,5-triazin-2-amine
CID 80873031
1-(oxolan-3-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766978
N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide
CID 19392238
sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid
CID 19392337
3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
CID 102983881
1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63852262
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321534
6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 115474100
N-benzyl-2-imidazol-1-yl-6-nitroquinazolin-4-amine;hydrochloride
CID 19392308
3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62350855

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine (CID 139645178) is 2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine is c1ccc2c(NCC3CCOC3)nc(-n3ccnc3)nc2c1.
What is the InChIKey of 2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine?
The InChIKey is HPKDHLVLOLGMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-4-14-13(3-1)15(18-9-12-5-8-22-10-12)20-16(19-14)21-7-6-17-11-21/h1-4,6-7,11-12H,5,8-10H2,(H,18,19,20).
What are the key properties of 2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine?
2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(oxolan-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 139645178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).