6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide

C27H35N7O5 — CID 135898528

IUPAC6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)/N=c2\nc3c(OC)c(OCCCN4CCOCC4)ccc3c3n2CCN3)cn1
InChIInChI=1S/C27H35N7O5/c1-36-15-9-28-22-7-4-19(18-30-22)26(35)32-27-31-23-20(25-29-8-11-34(25)27)5-6-21(24(23)37-2)39-14-3-10-33-12-16-38-17-13-33/h4-7,18,29H,3,8-17H2,1-2H3,(H,28,30)/b32-27+
InChIKeySXQXDHNYMFLDSC-QVAGMWBUSA-N
MW537.62 g/mol
LogP1.77
Rot. Bonds11

About 6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide

6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide (PubChem CID 135898528) has the molecular formula C27H35N7O5 and a molecular weight of 537.62 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide
PubChem CID135898528
Molecular FormulaC27H35N7O5
Molecular Weight537.62 g/mol
Exact Mass537.27
IUPAC Name6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)/N=c2\nc3c(OC)c(OCCCN4CCOCC4)ccc3c3n2CCN3)cn1
InChIInChI=1S/C27H35N7O5/c1-36-15-9-28-22-7-4-19(18-30-22)26(35)32-27-31-23-20(25-29-8-11-34(25)27)5-6-21(24(23)37-2)39-14-3-10-33-12-16-38-17-13-33/h4-7,18,29H,3,8-17H2,1-2H3,(H,28,30)/b32-27+
InChIKeySXQXDHNYMFLDSC-QVAGMWBUSA-N
XLogP1.77
TPSA124.36 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide?
The IUPAC name of 6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide (CID 135898528) is 6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide is COCCNc1ccc(C(=O)/N=c2\nc3c(OC)c(OCCCN4CCOCC4)ccc3c3n2CCN3)cn1.
What is the InChIKey of 6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide?
The InChIKey is SXQXDHNYMFLDSC-QVAGMWBUSA-N. The full InChI is InChI=1S/C27H35N7O5/c1-36-15-9-28-22-7-4-19(18-30-22)26(35)32-27-31-23-20(25-29-8-11-34(25)27)5-6-21(24(23)37-2)39-14-3-10-33-12-16-38-17-13-33/h4-7,18,29H,3,8-17H2,1-2H3,(H,28,30)/b32-27+.
What are the key properties of 6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide?
6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide has a molecular weight of 537.62 g/mol, XLogP of 1.77, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide is sourced from PubChem (CID 135898528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).