N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride

C21H26ClN5O — CID 158488766

IUPACN-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride
SMILESC.CCC(C)[C@H]1Cn2c(c3ccccc3n/c2=N\C(=O)c2cccnc2)N1.Cl
InChIInChI=1S/C20H21N5O.CH4.ClH/c1-3-13(2)17-12-25-18(22-17)15-8-4-5-9-16(15)23-20(25)24-19(26)14-7-6-10-21-11-14;;/h4-11,13,17,22H,3,12H2,1-2H3;1H4;1H/b24-20+;;/t13?,17-;;/m1../s1
InChIKeyGYPPNGGQJVSFRE-IHKMNWKBSA-N
MW399.93 g/mol
LogP4.07
Rot. Bonds3

About N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride

N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride (PubChem CID 158488766) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride
PubChem CID158488766
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC NameN-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride
SMILESC.CCC(C)[C@H]1Cn2c(c3ccccc3n/c2=N\C(=O)c2cccnc2)N1.Cl
InChIInChI=1S/C20H21N5O.CH4.ClH/c1-3-13(2)17-12-25-18(22-17)15-8-4-5-9-16(15)23-20(25)24-19(26)14-7-6-10-21-11-14;;/h4-11,13,17,22H,3,12H2,1-2H3;1H4;1H/b24-20+;;/t13?,17-;;/m1../s1
InChIKeyGYPPNGGQJVSFRE-IHKMNWKBSA-N
XLogP4.07
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride?
The IUPAC name of N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride (CID 158488766) is N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride.
What is the SMILES notation for N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride?
The canonical SMILES for N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride is C.CCC(C)[C@H]1Cn2c(c3ccccc3n/c2=N\C(=O)c2cccnc2)N1.Cl.
What is the InChIKey of N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride?
The InChIKey is GYPPNGGQJVSFRE-IHKMNWKBSA-N. The full InChI is InChI=1S/C20H21N5O.CH4.ClH/c1-3-13(2)17-12-25-18(22-17)15-8-4-5-9-16(15)23-20(25)24-19(26)14-7-6-10-21-11-14;;/h4-11,13,17,22H,3,12H2,1-2H3;1H4;1H/b24-20+;;/t13?,17-;;/m1../s1.
What are the key properties of N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride?
N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride has a molecular weight of 399.93 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-butan-2-yl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide;methane;hydrochloride is sourced from PubChem (CID 158488766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).