1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine

C25H27N5O — CID 156745515

IUPAC1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine
SMILESCc1nc(/N=C/c2cccc3c2CCN3)c2cc(N3CCOCC3)c3c(c2n1)CCC3
InChIInChI=1S/C25H27N5O/c1-16-28-24-20-6-3-5-19(20)23(30-10-12-31-13-11-30)14-21(24)25(29-16)27-15-17-4-2-7-22-18(17)8-9-26-22/h2,4,7,14-15,26H,3,5-6,8-13H2,1H3/b27-15+
InChIKeyNNTSZGLWQPALKL-JFLMPSFJSA-N
MW413.53 g/mol
LogP3.98
Rot. Bonds3

About 1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine

1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine (PubChem CID 156745515) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine
PubChem CID156745515
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine
SMILESCc1nc(/N=C/c2cccc3c2CCN3)c2cc(N3CCOCC3)c3c(c2n1)CCC3
InChIInChI=1S/C25H27N5O/c1-16-28-24-20-6-3-5-19(20)23(30-10-12-31-13-11-30)14-21(24)25(29-16)27-15-17-4-2-7-22-18(17)8-9-26-22/h2,4,7,14-15,26H,3,5-6,8-13H2,1H3/b27-15+
InChIKeyNNTSZGLWQPALKL-JFLMPSFJSA-N
XLogP3.98
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine?
The IUPAC name of 1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine (CID 156745515) is 1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine is Cc1nc(/N=C/c2cccc3c2CCN3)c2cc(N3CCOCC3)c3c(c2n1)CCC3.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine?
The InChIKey is NNTSZGLWQPALKL-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H27N5O/c1-16-28-24-20-6-3-5-19(20)23(30-10-12-31-13-11-30)14-21(24)25(29-16)27-15-17-4-2-7-22-18(17)8-9-26-22/h2,4,7,14-15,26H,3,5-6,8-13H2,1H3/b27-15+.
What are the key properties of 1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine?
1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine has a molecular weight of 413.53 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-4-yl)-N-(2-methyl-6-morpholin-4-yl-8,9-dihydro-7H-cyclopenta[h]quinazolin-4-yl)methanimine is sourced from PubChem (CID 156745515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).