(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine

C17H28N4 — CID 124744132

IUPAC(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine
SMILESCc1nc2c(c(N3CCC[C@@H](N(C)C)CC3)n1)CCCC2
InChIInChI=1S/C17H28N4/c1-13-18-16-9-5-4-8-15(16)17(19-13)21-11-6-7-14(10-12-21)20(2)3/h14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyZKLFDNQIWVCDQK-CQSZACIVSA-N
MW288.44 g/mol
LogP2.58
Rot. Bonds2

About (4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine

(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine (PubChem CID 124744132) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is (4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine.

Molecular Properties

Compound Name(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine
PubChem CID124744132
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine
SMILESCc1nc2c(c(N3CCC[C@@H](N(C)C)CC3)n1)CCCC2
InChIInChI=1S/C17H28N4/c1-13-18-16-9-5-4-8-15(16)17(19-13)21-11-6-7-14(10-12-21)20(2)3/h14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyZKLFDNQIWVCDQK-CQSZACIVSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine with MolForge

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Related Compounds

2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461386
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 133461617
4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460728
2-methyl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133462008
2-methyl-4-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 124885661
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460481
ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617
N,N-dimethyl-4-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 133461061
2-methyl-4-[3-(4-methylpiperazin-1-yl)azepan-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461921
4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133461624

Frequently Asked Questions

What is the IUPAC name of (4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine?
The IUPAC name of (4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine (CID 124744132) is (4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine.
What is the SMILES notation for (4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine?
The canonical SMILES for (4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine is Cc1nc2c(c(N3CCC[C@@H](N(C)C)CC3)n1)CCCC2.
What is the InChIKey of (4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine?
The InChIKey is ZKLFDNQIWVCDQK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4/c1-13-18-16-9-5-4-8-15(16)17(19-13)21-11-6-7-14(10-12-21)20(2)3/h14H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine?
(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine has a molecular weight of 288.44 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine is sourced from PubChem (CID 124744132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).