N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide

C30H35N7O — CID 53325467

IUPACN,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide
SMILESCC(=O)N(CCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2
InChIInChI=1S/C30H35N7O/c1-22(38)35(18-8-16-31-29-23-10-2-4-12-25(23)33-27-14-6-20-36(27)29)19-9-17-32-30-24-11-3-5-13-26(24)34-28-15-7-21-37(28)30/h2-5,10-13H,6-9,14-21H2,1H3/b31-29-,32-30-
InChIKeyRFCAXCSXCHJQAP-SZDCHMHBSA-N
MW509.66 g/mol
LogP3.41
Rot. Bonds8

About N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide

N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide (PubChem CID 53325467) has the molecular formula C30H35N7O and a molecular weight of 509.66 g/mol. Its IUPAC name is N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide.

Molecular Properties

Compound NameN,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide
PubChem CID53325467
Molecular FormulaC30H35N7O
Molecular Weight509.66 g/mol
Exact Mass509.29
IUPAC NameN,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide
SMILESCC(=O)N(CCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2
InChIInChI=1S/C30H35N7O/c1-22(38)35(18-8-16-31-29-23-10-2-4-12-25(23)33-27-14-6-20-36(27)29)19-9-17-32-30-24-11-3-5-13-26(24)34-28-15-7-21-37(28)30/h2-5,10-13H,6-9,14-21H2,1H3/b31-29-,32-30-
InChIKeyRFCAXCSXCHJQAP-SZDCHMHBSA-N
XLogP3.41
TPSA80.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.66
LogP ≤ 53.41
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 N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide?
The IUPAC name of N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide (CID 53325467) is N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide.
What is the SMILES notation for N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide?
The canonical SMILES for N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide is CC(=O)N(CCC/N=c1/c2ccccc2nc2n1CCC2)CCC/N=c1/c2ccccc2nc2n1CCC2.
What is the InChIKey of N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide?
The InChIKey is RFCAXCSXCHJQAP-SZDCHMHBSA-N. The full InChI is InChI=1S/C30H35N7O/c1-22(38)35(18-8-16-31-29-23-10-2-4-12-25(23)33-27-14-6-20-36(27)29)19-9-17-32-30-24-11-3-5-13-26(24)34-28-15-7-21-37(28)30/h2-5,10-13H,6-9,14-21H2,1H3/b31-29-,32-30-.
What are the key properties of N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide?
N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide has a molecular weight of 509.66 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylideneamino)propyl]acetamide is sourced from PubChem (CID 53325467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).