4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine

C30H37N7 — CID 53324169

IUPAC4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine
SMILESCN(CCCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2
InChIInChI=1S/C30H37N7/c1-35(20-10-18-32-30-24-12-3-5-14-26(24)34-28-16-9-22-37(28)30)19-7-6-17-31-29-23-11-2-4-13-25(23)33-27-15-8-21-36(27)29/h2-5,11-14H,6-10,15-22H2,1H3/b31-29-,32-30-
InChIKeyLENODDIBXRWXAM-SZDCHMHBSA-N
MW495.68 g/mol
LogP3.88
Rot. Bonds9

About 4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine

4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine (PubChem CID 53324169) has the molecular formula C30H37N7 and a molecular weight of 495.68 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine
PubChem CID53324169
Molecular FormulaC30H37N7
Molecular Weight495.68 g/mol
Exact Mass495.31
IUPAC Name4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine
SMILESCN(CCCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2
InChIInChI=1S/C30H37N7/c1-35(20-10-18-32-30-24-12-3-5-14-26(24)34-28-16-9-22-37(28)30)19-7-6-17-31-29-23-11-2-4-13-25(23)33-27-15-8-21-36(27)29/h2-5,11-14H,6-10,15-22H2,1H3/b31-29-,32-30-
InChIKeyLENODDIBXRWXAM-SZDCHMHBSA-N
XLogP3.88
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.68
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine (CID 53324169) is 4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine is CN(CCCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine?
The InChIKey is LENODDIBXRWXAM-SZDCHMHBSA-N. The full InChI is InChI=1S/C30H37N7/c1-35(20-10-18-32-30-24-12-3-5-14-26(24)34-28-16-9-22-37(28)30)19-7-6-17-31-29-23-11-2-4-13-25(23)33-27-15-8-21-36(27)29/h2-5,11-14H,6-10,15-22H2,1H3/b31-29-,32-30-.
What are the key properties of 4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine?
4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine has a molecular weight of 495.68 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)-N-[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]-N-methylbutan-1-amine is sourced from PubChem (CID 53324169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).