4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline

C19H25N3 — CID 143244835

IUPAC4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline
SMILESC/C=C/c1nc(N2CCCCCC2)c2ccc(CC)cc2n1
InChIInChI=1S/C19H25N3/c1-3-9-18-20-17-14-15(4-2)10-11-16(17)19(21-18)22-12-7-5-6-8-13-22/h3,9-11,14H,4-8,12-13H2,1-2H3/b9-3+
InChIKeySCLLWZLAZKHNBB-YCRREMRBSA-N
MW295.43 g/mol
LogP4.61
Rot. Bonds3

About 4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline

4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline (PubChem CID 143244835) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline.

Molecular Properties

Compound Name4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline
PubChem CID143244835
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline
SMILESC/C=C/c1nc(N2CCCCCC2)c2ccc(CC)cc2n1
InChIInChI=1S/C19H25N3/c1-3-9-18-20-17-14-15(4-2)10-11-16(17)19(21-18)22-12-7-5-6-8-13-22/h3,9-11,14H,4-8,12-13H2,1-2H3/b9-3+
InChIKeySCLLWZLAZKHNBB-YCRREMRBSA-N
XLogP4.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(E)-2-(6,7-dimethoxy-4-piperidin-1-ylquinazolin-2-yl)ethenyl]phenyl]methanol
CID 139921676
(6-ethyl-2-piperidin-1-ylquinolin-3-yl)methanamine
CID 20983432
1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine
CID 101022271
4-(azepan-1-yl)-7-bromo-2-methylquinazoline
CID 69428086
7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114693019
6-ethyl-1-piperazin-1-ylisoquinoline
CID 82276441
4-(4-methylpiperazin-1-yl)-2-[(Z)-2-phenylethenyl]quinazoline
CID 92914556
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
CID 136638558
2-[4-(azetidin-3-ylmethyl)phenyl]-7-ethyl-4-pyrrolidin-1-ylquinoline;N-ethenylethanamine
CID 177174140
2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 91964847
6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline?
The IUPAC name of 4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline (CID 143244835) is 4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline.
What is the SMILES notation for 4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline?
The canonical SMILES for 4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline is C/C=C/c1nc(N2CCCCCC2)c2ccc(CC)cc2n1.
What is the InChIKey of 4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline?
The InChIKey is SCLLWZLAZKHNBB-YCRREMRBSA-N. The full InChI is InChI=1S/C19H25N3/c1-3-9-18-20-17-14-15(4-2)10-11-16(17)19(21-18)22-12-7-5-6-8-13-22/h3,9-11,14H,4-8,12-13H2,1-2H3/b9-3+.
What are the key properties of 4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline?
4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline has a molecular weight of 295.43 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline is sourced from PubChem (CID 143244835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).