N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C20H26N6 — CID 126919428

IUPACN-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1nc2c(c(NCC3CN(c4cc5c(nn4)CCCC5)C3)n1)CCCC2
InChIInChI=1S/C20H26N6/c1-3-7-17-15(5-1)9-19(25-24-17)26-11-14(12-26)10-21-20-16-6-2-4-8-18(16)22-13-23-20/h9,13-14H,1-8,10-12H2,(H,21,22,23)
InChIKeyJZXULZLXZUVAEZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.57
Rot. Bonds4

About N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 126919428) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID126919428
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC NameN-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESc1nc2c(c(NCC3CN(c4cc5c(nn4)CCCC5)C3)n1)CCCC2
InChIInChI=1S/C20H26N6/c1-3-7-17-15(5-1)9-19(25-24-17)26-11-14(12-26)10-21-20-16-6-2-4-8-18(16)22-13-23-20/h9,13-14H,1-8,10-12H2,(H,21,22,23)
InChIKeyJZXULZLXZUVAEZ-UHFFFAOYSA-N
XLogP2.57
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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Related Compounds

3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile
CID 126919446
3-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridazine-4-carbonitrile
CID 126918704
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126918702
1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]methanamine
CID 126919333
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine
CID 126918682
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126918562
6-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 126918567
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]furo[2,3-d]pyridazin-7-amine
CID 126919411
2-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methylamino]cyclobutan-1-ol
CID 126919448
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 126919393
N-[(3-methylcyclopentyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107414057
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine
CID 126918612

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 126919428) is N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is c1nc2c(c(NCC3CN(c4cc5c(nn4)CCCC5)C3)n1)CCCC2.
What is the InChIKey of N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is JZXULZLXZUVAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-3-7-17-15(5-1)9-19(25-24-17)26-11-14(12-26)10-21-20-16-6-2-4-8-18(16)22-13-23-20/h9,13-14H,1-8,10-12H2,(H,21,22,23).
What are the key properties of N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 350.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 126919428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).