N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide

C24H20F3N7O2 — CID 127029609

IUPACN-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide
SMILESNc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3ccc(NC(=O)c4ccncc4)cc3n2)cn1
InChIInChI=1S/C24H20F3N7O2/c25-24(26,27)18-12-20(28)30-13-17(18)21-32-19-11-15(31-23(35)14-3-5-29-6-4-14)1-2-16(19)22(33-21)34-7-9-36-10-8-34/h1-6,11-13H,7-10H2,(H2,28,30)(H,31,35)
InChIKeyHFCUOGDBTTWZPG-UHFFFAOYSA-N
MW495.47 g/mol
LogP3.78
Rot. Bonds4

About N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide

N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide (PubChem CID 127029609) has the molecular formula C24H20F3N7O2 and a molecular weight of 495.47 g/mol. Its IUPAC name is N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide
PubChem CID127029609
Molecular FormulaC24H20F3N7O2
Molecular Weight495.47 g/mol
Exact Mass495.16
IUPAC NameN-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide
SMILESNc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3ccc(NC(=O)c4ccncc4)cc3n2)cn1
InChIInChI=1S/C24H20F3N7O2/c25-24(26,27)18-12-20(28)30-13-17(18)21-32-19-11-15(31-23(35)14-3-5-29-6-4-14)1-2-16(19)22(33-21)34-7-9-36-10-8-34/h1-6,11-13H,7-10H2,(H2,28,30)(H,31,35)
InChIKeyHFCUOGDBTTWZPG-UHFFFAOYSA-N
XLogP3.78
TPSA119.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide (CID 127029609) is N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide is Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3ccc(NC(=O)c4ccncc4)cc3n2)cn1.
What is the InChIKey of N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide?
The InChIKey is HFCUOGDBTTWZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O2/c25-24(26,27)18-12-20(28)30-13-17(18)21-32-19-11-15(31-23(35)14-3-5-29-6-4-14)1-2-16(19)22(33-21)34-7-9-36-10-8-34/h1-6,11-13H,7-10H2,(H2,28,30)(H,31,35).
What are the key properties of N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide?
N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide has a molecular weight of 495.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-4-morpholin-4-ylquinazolin-7-yl]pyridine-4-carboxamide is sourced from PubChem (CID 127029609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).